pymol-mcp

MCP Server Memory Low risk

Headless PyMOL MCP server for molecular visualization, GROMACS/LAMMPS MD workflows, and clathrate-hydrate cage analysis

用于分子可视化、GROMACS/LAMMPS 分子动力学工作流和水合物笼分析的无头 PyMOL MCP 服务器。

How to install

No unified install command; see the repository README.

About

--- [!NOTE] An MCP server that embeds **PyMOL in-process, headless** — no GUI, no socket plugin, no manual setup. It exposes 30+ **typed** tools, **returns rendered images inline** so the model can see what it draws, loads **GROMACS/LAMMPS** trajectories, and ships a **clathrate-hydrate analysis** toolkit (H-bond networks, F3/F4 order parameters) with **numerically validated** science. Demo Highlights | | | |---|---| | **Runtime** | Embedded, **headless** pymol2 — no GUI, no plugin, no socket | | **Tools** | **30+ typed tools** with real, structured return values | | **Vision** | ray-traced PN…

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Links

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Basic safety check

Findings: curated 收录但无 npm 包/安装命令
Sources: curated:punkpeye/awesome-mcp-servers
Topics: bioinformatics, clathrate-hydrate, gromacs, lammps, mcp, mcp-server, model-context-protocol, molecular-visualization, pymol

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